4,4-dimethyl-2-[(3-nitrophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one

Systemtic Name: 4,4-dimethyl-2-[(3-nitrophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one Openeye Name: 2-[hydroxy-(3-nitrophenyl)methyl]-4,4-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[hydroxy-(3-nitrophenyl)methyl]-4,4-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[hydroxy-(3-nitrophenyl)methyl]-4,4-dimethylcyclohex-2-en-1-one Traditional Name: 2-[hydroxy-(3-nitrophenyl)methyl]-4,4-dimethyl-cyclohex-2-en-1-one Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(=C1)C(C2=CC(=CC=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(CCC(=O)C(=C1)C(C2=CC(=CC=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C15H17NO4/c1-15(2)7-6-13(17)12(9-15)14(18)10-4-3-5-11(8-10)16(19)20/h3-5,8-9,14,18H,6-7H2,1-2H3